4-N-butyl-6-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-4,5,6-triamine

C15H19F2N5 — CID 19139880

IUPAC4-N-butyl-6-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-4,5,6-triamine
SMILESCCCCN(C)c1ncnc(Nc2ccc(F)cc2F)c1N
InChIInChI=1S/C15H19F2N5/c1-3-4-7-22(2)15-13(18)14(19-9-20-15)21-12-6-5-10(16)8-11(12)17/h5-6,8-9H,3-4,7,18H2,1-2H3,(H,19,20,21)
InChIKeyRWBHJOHTVKWCBU-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.32
Rot. Bonds6

About 4-N-butyl-6-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-4,5,6-triamine

4-N-butyl-6-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-4,5,6-triamine (PubChem CID 19139880) has the molecular formula C15H19F2N5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-N-butyl-6-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-butyl-6-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-4,5,6-triamine
PubChem CID19139880
Molecular FormulaC15H19F2N5
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name4-N-butyl-6-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-4,5,6-triamine
SMILESCCCCN(C)c1ncnc(Nc2ccc(F)cc2F)c1N
InChIInChI=1S/C15H19F2N5/c1-3-4-7-22(2)15-13(18)14(19-9-20-15)21-12-6-5-10(16)8-11(12)17/h5-6,8-9H,3-4,7,18H2,1-2H3,(H,19,20,21)
InChIKeyRWBHJOHTVKWCBU-UHFFFAOYSA-N
XLogP3.32
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-6-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-butyl-6-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-4,5,6-triamine (CID 19139880) is 4-N-butyl-6-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-butyl-6-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-butyl-6-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-4,5,6-triamine is CCCCN(C)c1ncnc(Nc2ccc(F)cc2F)c1N.
What is the InChIKey of 4-N-butyl-6-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-4,5,6-triamine?
The InChIKey is RWBHJOHTVKWCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N5/c1-3-4-7-22(2)15-13(18)14(19-9-20-15)21-12-6-5-10(16)8-11(12)17/h5-6,8-9H,3-4,7,18H2,1-2H3,(H,19,20,21).
What are the key properties of 4-N-butyl-6-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-4,5,6-triamine?
4-N-butyl-6-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-4,5,6-triamine has a molecular weight of 307.35 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-N-(2,4-difluorophenyl)-4-N-methylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19139880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).